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Back ChemicalBook Home>CAS DataBase List>93-54-9More Spectrum> 1-Phenyl-1-propanol(93-54-9) IR1

1-Phenyl-1-propanol(93-54-9) IR1

Product Name1-Phenyl-1-propanol

CAS93-54-9

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey DYUQAZSOFZSPHD-UHFFFAOYSA-N

SmilesC(C1C=CC=CC=1)(O)CC


  • Mass

    MS-NW-3395          
    alpha-ethylbenzyl alcohol
    C9H12O              (Mass of molecular ion:    136)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       4.4
          29.0       3.6
          31.0       1.1
          39.0       4.0
          41.0       1.1
          43.0       1.7
          50.0       3.8
          51.0       9.6
          52.0       2.7
          53.0       2.0
          57.0       2.4
          63.0       2.2
          65.0       1.8
          74.0       1.4
          75.0       1.1
          77.0      28.9
          78.0       7.2
          79.0      58.0
          80.0       4.3
          89.0       1.1
          91.0       5.7
         103.0       1.5
         105.0       5.6
         106.0       1.1
         107.0     100.0
         108.0       7.4
         115.0       2.6
         117.0       5.4
         118.0       3.8
         136.0       9.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H12 O 0.04 ml : 0.5 ml CDCl3
    alpha-ethylbenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.38 to 7.18 B 4.528 C 2.19 D 1.74 E 0.89

         Hz     ppm     Int.
    

        656.13   7.327     51
        655.13   7.315    121
        653.19   7.294   1000
        651.38   7.274    237
        649.75   7.255     82
        412.25   4.604     41
        405.69   4.530     82
        399.19   4.458     45
        196.38   2.193    104
        165.56   1.849     32
        164.31   1.835     62
        163.56   1.827     47
        162.63   1.816     63
        157.63   1.761     76
        156.63   1.749    102
        156.19   1.744     97
        155.50   1.737     80
        149.88   1.674     94
        149.06   1.665    104
        142.50   1.592     61
         86.00   0.961    194
         78.88   0.881    361
         71.38   0.798    123
         70.63   0.789     74
    

in CDCl3



liquid film



4880 A,200 M,liquid



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